Chebi:234165

Structural Information

Molecular Formula

C₇₅H₁₁₈O₄₀

SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)OC(=O)[C@]67CCC(C[C@H]6C8=CC[C@@H]9[C@]1(CC[C@@H]([C@@]([C@@H]1CC[C@]9([C@@]8(C[C@H]7O)C)C)(C)C=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)(C)C)C)O)O)O

InChI

InChI=1S/C75H118O40/c1-25-38(82)42(86)47(91)64(103-25)109-54-27(3)105-67(58(50(54)94)113-65-49(93)44(88)53(26(2)104-65)108-63-52(96)55(32(80)23-102-63)110-61-45(89)39(83)30(78)21-100-61)115-69(99)75-17-16-70(4,5)18-29(75)28-10-11-35-71(6)14-13-37(72(7,24-77)34(71)12-15-73(35,8)74(28,9)19-36(75)81)107-68-59(114-66-48(92)43(87)41(85)33(20-76)106-66)56(51(95)57(112-68)60(97)98)111-62-46(90)40(84)31(79)22-101-62/h10,24-27,29-59,61-68,76,78-96H,11-23H2,1-9H3,(H,97,98)/t25-,26+,27-,29+,30-,31-,32-,33-,34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,52-,53+,54+,55+,56+,57+,58-,59-,61+,62+,63+,64+,65+,66+,67+,68-,71+,72+,73-,74-,75-/m1/s1

InChIKey

BLPOVXSGMJKRIA-QFNMSBMFSA-N

Compound name

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

Related CIDs

• CID 176454215